2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C16H18N6 — CID 911053

IUPAC2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCN(C)CCCn1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C16H18N6/c1-21(2)8-5-9-22-15(18)11(10-17)14-16(22)20-13-7-4-3-6-12(13)19-14/h3-4,6-7H,5,8-9,18H2,1-2H3
InChIKeyGLCBOJPLYOBEJR-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 911053) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID911053
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCN(C)CCCn1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C16H18N6/c1-21(2)8-5-9-22-15(18)11(10-17)14-16(22)20-13-7-4-3-6-12(13)19-14/h3-4,6-7H,5,8-9,18H2,1-2H3
InChIKeyGLCBOJPLYOBEJR-UHFFFAOYSA-N
XLogP1.99
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 911053) is 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile is CN(C)CCCn1c(N)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is GLCBOJPLYOBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-21(2)8-5-9-22-15(18)11(10-17)14-16(22)20-13-7-4-3-6-12(13)19-14/h3-4,6-7H,5,8-9,18H2,1-2H3.
What are the key properties of 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 911053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).